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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:vatalanib
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Accession:CHEBI:90620 term browser browse the term
Definition:A member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit.
Synonyms:exact_synonym: N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
 related_synonym: CGP-79787;   CGP79787;   Formula=C20H15ClN4;   InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25);   InChIKey=YCOYDOIWSSHVCK-UHFFFAOYSA-N;   N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine;   N-(p-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;   PTK-787;   PTK/ZK;   PTK787;   SMILES=N1=NC(=C2C(=C1CC=3C=CN=CC3)C=CC=C2)NC4=CC=C(C=C4)Cl;   ZK-232934
 xref: CAS:212141-54-3;   DrugBank:DB04879;   KEGG:D06285;   LINCS:LSM-5774
 xref_mesh: MESH:C404768
 xref: PMID:16882767;   PMID:21617019;   PMID:22197613;   PMID:22664478;   PMID:22910317;   PMID:23488610;   PMID:23700288;   PMID:24449400;   PMID:24799063;   PMID:24838014;   PMID:24939212;   PMID:25340839;   PMID:26206183;   PMID:26403354;   Reaxys:8638800;   Wikipedia:Vatalanib



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vatalanib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2b3 cytochrome P450, family 2, subfamily b, polypeptide 3 multiple interactions ISO [vatalanib co-treated with NR1I3 protein alternative form] results in increased expression of CYP2B6 mRNA CTD PMID:31312845 NCBI chr 1:81,652,762...81,732,153
Ensembl chr 1:81,652,787...81,732,143
JBrowse link
G Nr1i3 nuclear receptor subfamily 1, group I, member 3 multiple interactions ISO [vatalanib co-treated with NR1I3 protein alternative form] results in increased expression of CYP2B6 mRNA; vatalanib inhibits the reaction [ethyl (5-(diethylglycyl)-10,11-dihydro-5H-dibenzo(b,f)azepin-3-yl)carbamate results in decreased activity of NR1I3 protein] CTD PMID:31312845 NCBI chr13:83,632,940...83,638,193
Ensembl chr13:83,632,899...83,637,906
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19741
    role 19714
      application 19547
        pharmaceutical 19423
          drug 19423
            antineoplastic agent 17620
              vatalanib 2
                vatalanib succinate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19741
    subatomic particle 19739
      composite particle 19739
        hadron 19739
          baryon 19739
            nucleon 19739
              atomic nucleus 19739
                atom 19739
                  main group element atom 19687
                    main group molecular entity 19687
                      s-block molecular entity 19539
                        hydrogen molecular entity 19532
                          hydrides 19014
                            inorganic hydride 17945
                              pnictogen hydride 17930
                                nitrogen hydride 17825
                                  azane 17606
                                    ammonia 17605
                                      organic amino compound 17605
                                        secondary amino compound 6738
                                          vatalanib 2
                                            vatalanib succinate 0
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